CID 20111767
1,2,3-propanetriol, diacetate propanoate
Structural Information
- Molecular Formula
- C10H16O6
- SMILES
- CCC(=O)OCC(COC(=O)C)OC(=O)C
- InChI
- InChI=1S/C10H16O6/c1-4-10(13)15-6-9(16-8(3)12)5-14-7(2)11/h9H,4-6H2,1-3H3
- InChIKey
- LVONJPHZHFUJEU-UHFFFAOYSA-N
- Compound name
- 2,3-diacetyloxypropyl propanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 233.10196 | 150.0 |
[M+Na]+ | 255.08390 | 155.6 |
[M-H]- | 231.08740 | 149.9 |
[M+NH4]+ | 250.12850 | 167.7 |
[M+K]+ | 271.05784 | 157.4 |
[M+H-H2O]+ | 215.09194 | 144.5 |
[M+HCOO]- | 277.09288 | 170.7 |
[M+CH3COO]- | 291.10853 | 190.0 |
[M+Na-2H]- | 253.06935 | 150.4 |
[M]+ | 232.09413 | 156.7 |
[M]- | 232.09523 | 156.7 |